1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C23H27FN4O5S — CID 55985251

IUPAC1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H27FN4O5S/c24-19-7-6-17(14-21(19)34(31,32)28-9-11-33-12-10-28)23(30)26-18-4-1-3-16(13-18)15-27-8-2-5-20(27)22(25)29/h1,3-4,6-7,13-14,20H,2,5,8-12,15H2,(H2,25,29)(H,26,30)
InChIKeyLOKYYZLLBMPSBT-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.55
Rot. Bonds7

About 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55985251) has the molecular formula C23H27FN4O5S and a molecular weight of 490.56 g/mol. Its IUPAC name is 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55985251
Molecular FormulaC23H27FN4O5S
Molecular Weight490.56 g/mol
Exact Mass490.17
IUPAC Name1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H27FN4O5S/c24-19-7-6-17(14-21(19)34(31,32)28-9-11-33-12-10-28)23(30)26-18-4-1-3-16(13-18)15-27-8-2-5-20(27)22(25)29/h1,3-4,6-7,13-14,20H,2,5,8-12,15H2,(H2,25,29)(H,26,30)
InChIKeyLOKYYZLLBMPSBT-UHFFFAOYSA-N
XLogP1.55
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120939593
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118
4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46424018
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
1-[[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985629
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560462
1-[[3-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984867
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55985251) is 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LOKYYZLLBMPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5S/c24-19-7-6-17(14-21(19)34(31,32)28-9-11-33-12-10-28)23(30)26-18-4-1-3-16(13-18)15-27-8-2-5-20(27)22(25)29/h1,3-4,6-7,13-14,20H,2,5,8-12,15H2,(H2,25,29)(H,26,30).
What are the key properties of 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55985251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).